N-(2-hydroxyethyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(2-hydroxyethyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(2-hydroxyethyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-hydroxyethyl)-2-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-hydroxyethyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(2-hydroxyethyl)-2-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCO

InChI

InChI=1S/C20H21N3O4S/c1-27-15-9-6-14(7-10-15)8-11-18(25)23-20(28)22-17-5-3-2-4-16(17)19(26)21-12-13-24/h2-11,24H,12-13H2,1H3,(H,21,26)(H2,22,23,25,28)/b11-8+